N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-oxochromene-3-carboxamide

C23H21N3O5 — CID 121062400

IUPACN-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCCNC(=O)C1CC1)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C23H21N3O5/c27-20(14-5-6-14)24-11-12-25-21(28)15-7-9-17(10-8-15)26-22(29)18-13-16-3-1-2-4-19(16)31-23(18)30/h1-4,7-10,13-14H,5-6,11-12H2,(H,24,27)(H,25,28)(H,26,29)
InChIKeyHBVUTNCZPJJXAU-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.30
Rot. Bonds7

About N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-oxochromene-3-carboxamide

N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-oxochromene-3-carboxamide (PubChem CID 121062400) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-oxochromene-3-carboxamide
PubChem CID121062400
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC NameN-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCCNC(=O)C1CC1)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C23H21N3O5/c27-20(14-5-6-14)24-11-12-25-21(28)15-7-9-17(10-8-15)26-22(29)18-13-16-3-1-2-4-19(16)31-23(18)30/h1-4,7-10,13-14H,5-6,11-12H2,(H,24,27)(H,25,28)(H,26,29)
InChIKeyHBVUTNCZPJJXAU-UHFFFAOYSA-N
XLogP2.30
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-oxochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(benzylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 1253528
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
CID 51157990
N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide
CID 121062466
N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23658676
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 55801625
2-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]chromene-3-carboxamide
CID 1137148
N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 1442136

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-oxochromene-3-carboxamide (CID 121062400) is N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-oxochromene-3-carboxamide is O=C(NCCNC(=O)C1CC1)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is HBVUTNCZPJJXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c27-20(14-5-6-14)24-11-12-25-21(28)15-7-9-17(10-8-15)26-22(29)18-13-16-3-1-2-4-19(16)31-23(18)30/h1-4,7-10,13-14H,5-6,11-12H2,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-oxochromene-3-carboxamide?
N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 419.44 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 121062400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).